CID 135434149

2,4-diamino-5-[(2-chlorophenyl)methylsulfanyl]-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C11H11ClN4OS
SMILES
C1=CC=C(C(=C1)CSC2=C(N=C(NC2=O)N)N)Cl
InChI
InChI=1S/C11H11ClN4OS/c12-7-4-2-1-3-6(7)5-18-8-9(13)15-11(14)16-10(8)17/h1-4H,5H2,(H5,13,14,15,16,17)
InChIKey
CVWOAIXUCDVLRT-UHFFFAOYSA-N
Compound name
2,4-diamino-5-[(2-chlorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0342 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04148 158.9
[M+Na]+ 305.02342 169.5
[M-H]- 281.02692 161.6
[M+NH4]+ 300.06802 172.3
[M+K]+ 320.99736 161.3
[M+H-H2O]+ 265.03146 151.8
[M+HCOO]- 327.03240 171.5
[M+CH3COO]- 341.04805 169.9
[M+Na-2H]- 303.00887 160.9
[M]+ 282.03365 159.1
[M]- 282.03475 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.